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Study of Electronic and Optical Properties of Fullerene Nanotube under High Pressure
Author(s) -
Prilutski Yu.I.,
Durov S. S.,
Nazarenko A. V.
Publication year - 1999
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(199901)211:1<213::aid-pssb213>3.0.co;2-j
Subject(s) - fullerene , nanotube , semiconductor , materials science , heterojunction , high pressure , electronic structure , chemical physics , nanotechnology , optoelectronics , computational chemistry , chemistry , carbon nanotube , thermodynamics , organic chemistry , physics
Abstract The modelling of the geometric structure, vibrational and electronic properties of a single‐wall fullerene nanotube versus the external pressure is carried out. It is shown that the presence of a heptagon–heptagon pair as a defect in the structure of this nanotube leads to the formation of a semiconductor–semiconductor heterojunction with different values of the gap. The obtained theoretical results are compared with available experimental data.